(5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-phenylimidazolidine-2,4-dione
Formula:C20H13N2O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-phenylimidazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-phenylimidazolidine-2,4-dione |
| MolecularFormula | C20H13N2O2ClS2 |
| Smiles | O=C(/C(/NC1=O)=C/c2ccc(Sc(cc3)ccc3Cl)s2)N1c1ccccc1 |
| InChI | InChI=1S/C20H13ClN2O2S2/c21-13-6-8-15(9-7-13)26-18-11-10-16(27-18)12-17-19(24)23(20(25)22-17)14-4-2-1-3-5-14/h1-12H,(H,22,25) |
| InChIK | VKAHCRZAVKTTEK-UHFFFAOYSA-N |
| TotalMolweight | 412.92 |
| Molweight | 412.92 |
| MonoisotopicMass | 412.010695 |
| CLogP | 5.1148 |
| CLogS | -6.768 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 290.1 |
| Relative PSA | 0.27211 |
| PolarSurfaceArea | 102.95 |
| Druglikeness | 4.8098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-phenylimidazolidine-2,4-dione | 2 - (5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-phenylimidazolidine-2,4-dione
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